3-[4-(butylsulfonylmethyl)-2-sulfanylidene-1,3-thiazol-3-yl]propanoic acid

Systemtic Name: 3-[4-(butylsulfonylmethyl)-2-sulfanylidene-1,3-thiazol-3-yl]propanoic acid Openeye Name: 3-[4-(butylsulfonylmethyl)-2-thioxo-thiazol-3-yl]propanoic acid CAS Name: 3-[4-(butylsulfonylmethyl)-2-sulfanylidene-3-thiazolyl]propanoic acid IUPAC Name: 3-[4-(butylsulfonylmethyl)-2-sulfanylidene-1,3-thiazol-3-yl]propanoic acid Traditional Name: 3-[4-(butylsulfonylmethyl)-2-thioxo-4-thiazolin-3-yl]propionic acid Formula: C11H17NO4S3 MolecularWeight: 323.45198

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)CC1=CSC(=S)N1CCC(=O)O

Isomeric SMILES

CCCCS(=O)(=O)CC1=CSC(=S)N1CCC(=O)O

InChI

InChI=1S/C11H17NO4S3/c1-2-3-6-19(15,16)8-9-7-18-11(17)12(9)5-4-10(13)14/h7H,2-6,8H2,1H3,(H,13,14)